1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine

C19H22ClN5O2S — CID 162646407

IUPAC1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O2S/c1-13(2)18-23-17-16(6-7-22-19(17)24-10-8-21-9-11-24)25(18)28(26,27)15-5-3-4-14(20)12-15/h3-7,12-13,21H,8-11H2,1-2H3
InChIKeyQWMKBPOOVMOXIR-UHFFFAOYSA-N
MW419.94 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine

1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 162646407) has the molecular formula C19H22ClN5O2S and a molecular weight of 419.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID162646407
Molecular FormulaC19H22ClN5O2S
Molecular Weight419.94 g/mol
Exact Mass419.12
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O2S/c1-13(2)18-23-17-16(6-7-22-19(17)24-10-8-21-9-11-24)25(18)28(26,27)15-5-3-4-14(20)12-15/h3-7,12-13,21H,8-11H2,1-2H3
InChIKeyQWMKBPOOVMOXIR-UHFFFAOYSA-N
XLogP2.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

DB-02197
CID 5288527
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
N-(3-(((2-(6-Chloro-7-fluoro-1H-benzo[d]imidazol-2-yl)pyrimidin-4-yl)amino)methyl)pyridin-2-yl)-N-methylmethanesulfonamide
CID 162368309
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (CID 162646407) is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is CC(C)c1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is QWMKBPOOVMOXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2S/c1-13(2)18-23-17-16(6-7-22-19(17)24-10-8-21-9-11-24)25(18)28(26,27)15-5-3-4-14(20)12-15/h3-7,12-13,21H,8-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 419.94 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162646407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).